4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine

C13H9FN4O3 — CID 68515325

IUPAC4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine
SMILESCn1ncc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc21
InChIInChI=1S/C13H9FN4O3/c1-17-13-9(7-16-17)11(4-5-15-13)21-12-3-2-8(18(19)20)6-10(12)14/h2-7H,1H3
InChIKeyARFCQYXYWGUMCU-UHFFFAOYSA-N
MW288.24 g/mol
LogP2.81
Rot. Bonds3

About 4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine

4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine (PubChem CID 68515325) has the molecular formula C13H9FN4O3 and a molecular weight of 288.24 g/mol. Its IUPAC name is 4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine
PubChem CID68515325
Molecular FormulaC13H9FN4O3
Molecular Weight288.24 g/mol
Exact Mass288.07
IUPAC Name4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine
SMILESCn1ncc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc21
InChIInChI=1S/C13H9FN4O3/c1-17-13-9(7-16-17)11(4-5-15-13)21-12-3-2-8(18(19)20)6-10(12)14/h2-7H,1H3
InChIKeyARFCQYXYWGUMCU-UHFFFAOYSA-N
XLogP2.81
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline
CID 134392084
6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine
CID 156871736
ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline
CID 143647632
4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine
CID 59852937
methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate
CID 66916355
5-[2-(2-fluoro-4-nitrophenoxy)-5-phenylphenyl]-1-methylpyrazole
CID 58042274
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
2-bromo-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine
CID 59424521
CID 89281854
CID 89281854
ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine
CID 143171687
1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
CID 101232592
7-(2-fluoro-4-nitrophenoxy)-2-(5-methyl-2-pyridinyl)thieno[3,2-b]pyridine
CID 174676619

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine?
The IUPAC name of 4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine (CID 68515325) is 4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine is Cn1ncc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc21.
What is the InChIKey of 4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine?
The InChIKey is ARFCQYXYWGUMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O3/c1-17-13-9(7-16-17)11(4-5-15-13)21-12-3-2-8(18(19)20)6-10(12)14/h2-7H,1H3.
What are the key properties of 4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine?
4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine has a molecular weight of 288.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 68515325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).